N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide

C19H15FN2O2 — CID 58337440

IUPACN-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1
InChIInChI=1S/C19H15FN2O2/c1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17/h2-12H,1H3,(H,22,23)
InChIKeyWTKCOOFDNQUCDO-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.57
Rot. Bonds4

About N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide

N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide (PubChem CID 58337440) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide
PubChem CID58337440
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC NameN-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1
InChIInChI=1S/C19H15FN2O2/c1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17/h2-12H,1H3,(H,22,23)
InChIKeyWTKCOOFDNQUCDO-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide?
The IUPAC name of N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide (CID 58337440) is N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.
What is the InChIKey of N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide?
The InChIKey is WTKCOOFDNQUCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17/h2-12H,1H3,(H,22,23).
What are the key properties of N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide?
N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide has a molecular weight of 322.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 58337440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).